N-benzylpyrrolidine-1-carboxamide

C12H16N2O — CID 6459037

IUPACN-benzylpyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC1
InChIInChI=1S/C12H16N2O/c15-12(14-8-4-5-9-14)13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,15)
InChIKeyQGCXDVIAGVEYLT-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.99
Rot. Bonds2

About N-benzylpyrrolidine-1-carboxamide

N-benzylpyrrolidine-1-carboxamide (PubChem CID 6459037) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-benzylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzylpyrrolidine-1-carboxamide
PubChem CID6459037
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-benzylpyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC1
InChIInChI=1S/C12H16N2O/c15-12(14-8-4-5-9-14)13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,15)
InChIKeyQGCXDVIAGVEYLT-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzylpyrrolidine-1-carboxamide?
The IUPAC name of N-benzylpyrrolidine-1-carboxamide (CID 6459037) is N-benzylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzylpyrrolidine-1-carboxamide?
The canonical SMILES for N-benzylpyrrolidine-1-carboxamide is O=C(NCc1ccccc1)N1CCCC1.
What is the InChIKey of N-benzylpyrrolidine-1-carboxamide?
The InChIKey is QGCXDVIAGVEYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12(14-8-4-5-9-14)13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,15).
What are the key properties of N-benzylpyrrolidine-1-carboxamide?
N-benzylpyrrolidine-1-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpyrrolidine-1-carboxamide is sourced from PubChem (CID 6459037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).